VsiteAtomMapping Class Reference

Description

Convenience typedef for linking function type to parameter numbers.

The entries in this datastructure are valid if the particle participates in a virtual site interaction and has a valid vsite function type other than VSITEN.

Todo:

Change to remove empty constructor when gmx::compat::optional is available.

Public Member Functions
	VsiteAtomMapping (int functionType, int interactionIndex)
	Only construct with all information in place or nothing.
const int &	functionType () const
	Get function type.
const int &	interactionIndex () const
	Get parameter number.

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The documentation for this class was generated from the following file:

• src/gromacs/gmxpreprocess/vsite_parm.cpp